6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile

C18H26N4 — CID 97482358

IUPAC6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
SMILESCC(C)CN1CCC[C@]2(CCN(c3ccc(C#N)cn3)C2)C1
InChIInChI=1S/C18H26N4/c1-15(2)12-21-8-3-6-18(13-21)7-9-22(14-18)17-5-4-16(10-19)11-20-17/h4-5,11,15H,3,6-9,12-14H2,1-2H3/t18-/m0/s1
InChIKeyOOYRBJKOZATLHI-SFHVURJKSA-N
MW298.43 g/mol
LogP2.90
Rot. Bonds3

About 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile

6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile (PubChem CID 97482358) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
PubChem CID97482358
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
SMILESCC(C)CN1CCC[C@]2(CCN(c3ccc(C#N)cn3)C2)C1
InChIInChI=1S/C18H26N4/c1-15(2)12-21-8-3-6-18(13-21)7-9-22(14-18)17-5-4-16(10-19)11-20-17/h4-5,11,15H,3,6-9,12-14H2,1-2H3/t18-/m0/s1
InChIKeyOOYRBJKOZATLHI-SFHVURJKSA-N
XLogP2.90
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile (CID 97482358) is 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile is CC(C)CN1CCC[C@]2(CCN(c3ccc(C#N)cn3)C2)C1.
What is the InChIKey of 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile?
The InChIKey is OOYRBJKOZATLHI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4/c1-15(2)12-21-8-3-6-18(13-21)7-9-22(14-18)17-5-4-16(10-19)11-20-17/h4-5,11,15H,3,6-9,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile?
6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile has a molecular weight of 298.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97482358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).